@MOLECULE luteusin a 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.2029 2.7227 0.4121 Cl 1 UNL1111111111 -0.0296 2 O 5.5704 -1.7254 -0.2948 O.3 1 UNL1111111111 -0.5075 3 O 3.5141 -2.0001 1.4892 O.3 1 UNL1111111111 -0.5398 4 O -0.4524 -1.0451 -0.2694 O.2 1 UNL1111111111 -0.2638 5 O 5.4761 0.8689 0.4464 O.2 1 UNL1111111111 -0.3734 6 C 4.3785 -1.0292 -0.5306 C.3 1 UNL1111111111 0.1750 7 C 3.2056 -1.8110 0.1253 C.3 1 UNL1111111111 0.1137 8 C 1.9178 -1.0587 -0.0136 C.2 1 UNL1111111111 -0.2562 9 C 4.4388 0.3798 0.0855 C.2 1 UNL1111111111 0.3913 10 C 1.9514 0.3919 0.1281 C.2 1 UNL1111111111 0.1283 11 C 4.2534 -0.9329 -2.0445 C.3 1 UNL1111111111 -0.4610 12 C 3.1340 1.0431 0.1960 C.2 1 UNL1111111111 -0.2512 13 C 0.7423 -1.6849 -0.2093 C.2 1 UNL1111111111 0.1432 14 C 0.6553 1.0273 0.1780 C.2 1 UNL1111111111 -0.3242 15 C -0.4734 0.3118 -0.0262 C.2 1 UNL1111111111 0.2673 16 C -6.7215 -0.0111 -0.2110 C.3 1 UNL1111111111 -0.0957 17 C -7.4442 -1.0258 0.6986 C.3 1 UNL1111111111 -0.2620 18 C -5.2643 -0.3413 -0.3147 C.2 1 UNL1111111111 -0.1408 19 C -1.8356 0.8081 -0.0218 C.2 1 UNL1111111111 -0.2552 20 C -4.2709 0.5611 -0.3948 C.2 1 UNL1111111111 -0.0455 21 C -7.3291 -0.0378 -1.6211 C.3 1 UNL1111111111 -0.4477 22 C -2.8892 0.0848 -0.4397 C.2 1 UNL1111111111 -0.0495 23 C -6.9334 -0.9446 2.1362 C.3 1 UNL1111111111 -0.4401 24 C -4.4884 2.0366 -0.4168 C.3 1 UNL1111111111 -0.4398 25 H 3.1669 -2.8568 -0.2590 H 1 UNL1111111111 0.1660 26 H 3.3326 -0.4257 -2.3520 H 1 UNL1111111111 0.1579 27 H 5.1064 -0.3787 -2.4669 H 1 UNL1111111111 0.1763 28 H 4.2747 -1.9297 -2.5049 H 1 UNL1111111111 0.1669 29 H 0.5498 -2.7470 -0.3445 H 1 UNL1111111111 0.1786 30 H 0.6057 2.0989 0.3735 H 1 UNL1111111111 0.1979 31 H 5.7096 -1.8397 0.6767 H 1 UNL1111111111 0.3322 32 H 3.3648 -1.1807 2.0095 H 1 UNL1111111111 0.3245 33 H -6.8641 1.0084 0.2268 H 1 UNL1111111111 0.1447 34 H -8.5334 -0.8304 0.6754 H 1 UNL1111111111 0.1386 35 H -7.3158 -2.0513 0.3050 H 1 UNL1111111111 0.1376 36 H -5.0493 -1.4116 -0.3207 H 1 UNL1111111111 0.1488 37 H -1.9492 1.8266 0.3604 H 1 UNL1111111111 0.1819 38 H -6.8394 0.6913 -2.2769 H 1 UNL1111111111 0.1485 39 H -8.3978 0.2013 -1.5982 H 1 UNL1111111111 0.1470 40 H -7.2195 -1.0232 -2.0879 H 1 UNL1111111111 0.1486 41 H -2.7560 -0.9330 -0.8250 H 1 UNL1111111111 0.1579 42 H -5.8531 -1.1258 2.1902 H 1 UNL1111111111 0.1472 43 H -7.1200 0.0424 2.5743 H 1 UNL1111111111 0.1439 44 H -7.4244 -1.6874 2.7750 H 1 UNL1111111111 0.1440 45 H -5.4876 2.3090 -0.7842 H 1 UNL1111111111 0.1558 46 H -3.7677 2.5476 -1.0724 H 1 UNL1111111111 0.1596 47 H -4.3852 2.4664 0.5910 H 1 UNL1111111111 0.1598 @BOND 1 1 12 1 2 2 6 1 3 2 31 1 4 3 7 1 5 3 32 1 6 4 13 1 7 4 15 1 8 5 9 2 9 6 7 1 10 6 9 1 11 6 11 1 12 7 8 1 13 7 25 1 14 8 10 1 15 8 13 2 16 9 12 1 17 10 12 2 18 10 14 1 19 11 26 1 20 11 27 1 21 11 28 1 22 13 29 1 23 14 15 2 24 14 30 1 25 15 19 1 26 16 17 1 27 16 18 1 28 16 21 1 29 16 33 1 30 17 23 1 31 17 34 1 32 17 35 1 33 18 20 2 34 18 36 1 35 19 22 2 36 19 37 1 37 20 22 1 38 20 24 1 39 21 38 1 40 21 39 1 41 21 40 1 42 22 41 1 43 23 42 1 44 23 43 1 45 23 44 1 46 24 45 1 47 24 46 1 48 24 47 1